SCHEMBL7699378

SCHEMBL7699378

CCCNCCC(Cc1ccccc1)(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.50
MMP1 P03956 14/20 0.50
MMP9 P14780 12/20 0.50
ADAM17 P78536 3/20 0.48
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 4/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
MMP8 P22894 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6928756 0.87 MMP13 (0.57) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6928876 0.82 MMP13 (0.47) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6928552 0.79 MMP1 (0.54) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7624918 0.78 MMP13 (0.49) MMP13MMP1MMP9ADAM17LMNA
SCHEMBL6932240 0.77 MMP1 (0.69) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6932195 0.77 MMP13 (0.63) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6935154 0.75 MMP9 (0.77) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6929880 0.75 MMP1 (0.76) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6932184 0.74 MMP1 (0.62) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL6934097 0.73 MMP9 (0.75) MMP13MMP1MMP9ADAM17MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 US disclosed